E,Z-2,4-Hexadienedial

Base Information

• Chemical Name: E,Z-2,4-Hexadienedial
• CAS No.: 3249-28-3
• Molecular Formula: C6H6 O2
• Molecular Weight: 110.112
• Hs Code.: 2912190090
• DSSTox Substance ID: DTXSID60878888
• Mol file: 3249-28-3.mol

Synonyms:53042-85-6;hexadienedial;E,Z-2,4-HEXADIENEDIAL;SCHEMBL717666;SCHEMBL13171837;DTXSID60878888;FT-0773455

Chemical Property of E,Z-2,4-Hexadienedial

Chemical Property:

• Vapor Pressure: 0.0577mmHg at 25°C
• Melting Point: 121 °C(Solv: ethanol (64-17-5); benzene (71-43-2))
• Boiling Point: 232.8°Cat760mmHg
• Flash Point: 84.8°C
• PSA: 34.14000
• Density: 1.006g/cm³
• LogP: 0.49660
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 110.036779430
• Heavy Atom Count: 8
• Complexity: 107

Purity/Quality:

98%Min ^*data from raw suppliers

2,4-Hexadienedial ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=CC=O)C=CC=O
• Uses: 2,4-Hexadienedial is a product from the oxidation of benzene on TiO2-photocatalysts; Also, it is an intermediate used in the synthesis of (2E,4E,6Z)-2,4,6-Nonatrienal (N649575), which is a natural aroma compound found in variety of foods such as oats and black tea.

Technology Process of E,Z-2,4-Hexadienedial

There total 6 articles about E,Z-2,4-Hexadienedial which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → hexa-2,4-dienedial (3249-28-3) + ethylene-1,2-dicarbaldehyde (2363-83-9) + phenol (108-95-2,27073-41-2)

Guidance literature:

With oxygen; ozone; at 22.84 - 24.84 ℃; under 200 Torr; Mechanism; Flow conditions; Gas phase;

DOI:10.1021/jp2010327

Reference yield:

benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → hexa-2,4-dienedial (3249-28-3)

Guidance literature:

With 3,3-dimethyldioxirane; In acetone; at 50 ℃;

DOI:10.1016/j.tetlet.2004.04.081

Reference yield:

benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → hexa-2,4-dienedial (3249-28-3) + hydroquinone (123-31-9,8027-02-9) + p-benzoquinone (106-51-4) + phenol (108-95-2,27073-41-2)

Guidance literature:

With water; oxygen; titanium(IV) oxide; at 40 ℃; for 0.5h; UV-irradiation;

DOI:10.1021/ja102305e

upstream raw materials:

1,1,4,6,6-pentamethoxy-hex-2-ene

phenol

benzene

Refernces

• 1、 Birdsall, Adam W.,Elrod, Matthew J.. "Comprehensive NO-dependent study of the products of the oxidation of atmospherically relevant aromatic compounds". experimental part. p. 5397 - 5407. Retrieved 2011/07/08.
• 2、 Nauduri, Dhananjaya,Greenberg, Arthur. "Direct observation by 1H NMR of 4,5-benzoxepin-2,3-oxide and its surprisingly rapid ring-opening rearrangement to 1H-2-benzopyran-1- carboxaldehyde". . p. 4789 - 4793. Retrieved 2007/10/03.